SCHEMBL3423338

SCHEMBL3423338

Cc1ccc(-c2ccnc(C)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.56
CCR5 P51681 1/20 0.56
CCR8 P51685 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CYP3A4 P08684 1/20 0.53
CYP2A6 P11509 1/20 0.53
UHRF1 Q96T88 1/20 0.48
WNT3A P56704 9/20 0.47
MAP4K4 O95819 1/20 0.45
DYRK1A Q13627 2/20 0.44
NFATC1 O95644 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
METAP2 P50579 1/20 0.42
AAK1 Q2M2I8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17051593 0.92 CYP3A4 (0.54) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL1492636 0.81 MAP4K4 (0.50) UHRF1WNT3AMAP4K4DYRK1ANFATC1
SCHEMBL22886741 0.81 DYRK1A (0.44) UHRF1WNT3AMAP4K4DYRK1ANFATC1
SCHEMBL18015428 0.81 MAP4K4 (0.43) UHRF1WNT3AMAP4K4DYRK1ANFATC1
SCHEMBL18174692 0.81 DYRK1A (0.43) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL94423 0.80 CCR1 (0.55) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL23339297 0.80 CCR1 (0.60) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL18174734 0.80 CYP3A4 (0.43) CYP3A4CYP2A6WNT3ADYRK1APSEN1
SCHEMBL13483666 0.79 CCR1 (0.71) CCR1CCR5CCR8HDAC6CYP3A4
SCHEMBL27861147 0.79 WNT3A (0.52) WNT3AMAP4K4PSEN1PSEN2APH1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023140640-A1 HETEROARYL DERIVATIVE AND USES THEREOF 한양대학교 산학협력단 2023-07-27 WO disclosed
US-20220281873-A1 COMPOUND AS PORCUPINE INHIBITOR AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2022-09-08 US disclosed
US-11014943-B2 Azetidine derivative CHIA TAI TIANQING PHARMACEUTICAL GROUP GO., LTD. (CN) 2021-05-25 US disclosed
US-20200115392-A1 AZETIDINE DERIVATIVE CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-04-16 US disclosed
US-10454042-B2 Organic electroluminescence device UDC IRELAND LIMITED (IE) 2019-10-22 US disclosed
US-20160079545-A1 Organic Electroluminescence Device UDC Ireland (IE) 2016-03-17 US disclosed
US-9287515-B2 Compositions comprising organic and organometallic compounds, and their applications in organic electroluminescence, light emission, display, and illumination devices UDC Ireland (IE) 2016-03-15 US disclosed
US-8883850-B2 Naphthalene carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-8883850-B2 Naphthalene carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-20130059860-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-03-07 US disclosed
US-20120153272-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-04-19 US disclosed
US-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-04-19 US disclosed
WO-2011149801-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-12-01 WO disclosed
US-7993760-B2 Compound for use in organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-08-09 US disclosed
US-7993760-B2 Compound for use in organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-08-09 US disclosed
US-20110118411-A1 POLYMERIC COMPOUND HAVING RESIDUE OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-19 US disclosed
US-20110108770-A1 COMPOSITION COMPRISING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-12 US disclosed
US-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-1956022-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel Chemical Co., Ltd. (JP) 2008-08-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220281873-A1 COMPOUND AS PORCUPINE INHIBITOR AND USE THEREOF PORCN, SLC6A1, SLC6A11 CCR1 4734/4885CCR5 2617/4885CCR8 4817/4885
US-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device LAGE3, ICMT, PPOX CCR1 3138/4885CCR5 934/4885CCR8 4189/4885
US-11014943-B2 Azetidine derivative BCL9, MCL1, BCL9L CCR1 2487/4885CCR5 1859/4885CCR8 2017/4885
US-20200115392-A1 AZETIDINE DERIVATIVE BCL9, MCL1, BCL9L CCR1 2487/4885CCR5 1859/4885CCR8 2017/4885
US-20120091445-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 CCR1 1720/4885CCR5 1637/4885CCR8 2460/4885
US-20130059860-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, OPRL1 CCR1 3097/4885CCR5 2281/4885CCR8 4319/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 CCR1 3292/4885CCR5 1641/4885CCR8 3738/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.