SCHEMBL2121006

SCHEMBL2121006

Brc1cncc(-c2ccccn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.56
KDM4E B2RXH2 5/20 0.46
LMNA P02545 3/20 0.46
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
GRM5 P41594 2/20 0.45
TP53 P04637 6/20 0.43
NPC1 O15118 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 5/20 0.43
PKM P14618 3/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL6625981 0.87 GRM5 (0.48) CYP2A6KDM4EGRM5TSHRHTT
SCHEMBL2462770 0.86 CYP2A6 (0.67) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL3660432 0.86 GRM5 (0.48) CYP2A6KDM4ELMNACYP1A2GRM5
Hydrochloric Acid SCHEMBL6004892 0.84 CYP2A6 (0.64) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL10031169 0.82 CYP2A6 (0.62) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL29327575 0.82 CYP2A6 (0.43) CYP2A6KDM4EGRM5TP53NPC1
SCHEMBL9958124 0.80 KDM4E (0.54) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL31252166 0.80 KDM4E (0.54) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL9958239 0.80 KDM4E (0.54) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL4179017 0.80 GRM5 (0.71) KDM4ELMNAGRM5TP53NPC1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12509424-B2 Compound and composition as PDGF receptor kinase inhibitor NIPPON SHINYAKU CO., LTD. (JP) 2025-12-30 US disclosed
EP-4516777-A2 COMPOUND AND COMPOSITION AS PDGF RECEPTOR KINASE INHIBITOR Nippon Shinyaku Co., Ltd. (JP) 2025-03-05 EP disclosed
US-20230101484-A1 COMPOUND AND COMPOSITION AS PDGF RECEPTOR KINASE INHIBITOR NIPPON SHINYAKU CO., LTD. (JP) 2023-03-30 US disclosed
EP-4074376-A1 COMPOUND SERVING AS PDGF RECEPTOR KINASE INHIBITOR, AND COMPOSITION Nippon Shinyaku Co., Ltd. (JP) 2022-10-19 EP disclosed
WO-2021117846-A1 COMPOUND SERVING AS PDGF RECEPTOR KINASE INHIBITOR, AND COMPOSITION 日本新薬株式会社 2021-06-17 WO disclosed
US-20120095011-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-04-19 US disclosed
US-20090131463-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-7521453-B2 e.g. 5-Bromo-2-(3-methylisoxazol-5-ylmethylamino)-4-(5-cyclopropyl- 1H-pyrazol-3-ylamino)pyrimidine; anticarcinogenic, antitumor agents; breast, prostate, colon cancer ASTRAZENECA AB (SE) 2009-04-21 US disclosed
EP-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 EP disclosed
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) ASTRAZENECA AB 2005-03-10 US disclosed
CN-1589277-A 6-O-carbamate-11,12-lacto-ketolide antimicrobials ORTHO MCNEIL PHARM INC (US) 2005-03-02 CN disclosed
EP-1430068-A1 6-O-CARBAMATE-11,12-LACTO-KETOLIDE ANTIMICROBIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-06-23 EP disclosed
US-6713455-B2 A BICYCLIC HETEROAROMATIC COMPOUND CONTAINING TWO KETO, TWO ESTER, A CARBAMATE GROUPS AND A METHYL, HYDROXY AND AMINE SUBSTITUTED OXYPYRAN RING; USEFUL ANTIBACTERIAL AGENT FOR TREATING PNEUMONIA, SKIN, SOFT TISSUE AND BONE INFECTIONS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-03-30 US disclosed
US-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-03 US disclosed
WO-2003024986-A1 6-O-CARBAMATE-11,12-LACTO-KETOLIDE ANTIMICROBIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-03-27 WO 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 (6 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-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ARG1, LPO, Q6ZSR9 CYP2A6 601/4885KDM4E 39/4885LMNA 3417/4885
US-20090131463-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 CYP2A6 138/4885KDM4E 1501/4885LMNA 3223/4885
US-12509424-B2 Compound and composition as PDGF receptor kinase inhibitor PDGFRA, PDGFRB, PDGFA CYP2A6 3817/4885KDM4E 713/4885LMNA 3159/4885
US-20230101484-A1 COMPOUND AND COMPOSITION AS PDGF RECEPTOR KINASE INHIBITOR PDGFRB, PDGFRA, PDGFA CYP2A6 3529/4885KDM4E 1993/4885LMNA 3787/4885
US-20120095011-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 CYP2A6 138/4885KDM4E 1501/4885LMNA 3223/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR CYP2A6 2421/4885KDM4E 3536/4885LMNA 3680/4885

“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.