SCHEMBL3421988

SCHEMBL3421988

Cc1cccc(-c2cncc(-c3cccc(C)n3)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.67
CCR1 P32246 1/20 0.60
CCR8 P51685 1/20 0.60
METAP2 P50579 1/20 0.47
TGFBR1 P36897 8/20 0.44
MAPK14 Q16539 1/20 0.41
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL3422003 0.91 CYP2A6 (0.57) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL10001003 0.90 CYP2A6 (0.61) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL9290063 0.87 CYP2A6 (0.57) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL13483700 0.87 CCR1 (0.71) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL11990860 0.85 CCR1 (0.68) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL4581601 0.83 CYP2A6 (0.67) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL18758860 0.83 CYP2A6 (0.53) CYP2A6CCR1CCR8METAP2
SCHEMBL19009235 0.82 CYP2A6 (0.81) CYP2A6CCR1CCR8
SCHEMBL14168736 0.81 CCR1 (0.62) CYP2A6CCR1CCR8METAP2TGFBR1
SCHEMBL3609216 0.80 CYP2A6 (1.00) CYP2A6CCR1CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1956022-B1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL CO (JP) 2012-07-25 EP disclosed
US-20120153272-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 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
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-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 (3 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-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device LAGE3, ICMT, PPOX CYP2A6 1781/4885CCR1 3138/4885CCR8 4189/4885
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 CYP2A6 418/4885CCR1 1720/4885CCR8 2460/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 CYP2A6 4115/4885CCR1 3292/4885CCR8 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.