SCHEMBL3875462

SCHEMBL3875462

CCc1[nH]cc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 3/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ HTR6 P50406 1/20 0.35
▸ CYP2A6 P11509 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ATM Q13315 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ AHR P35869 1/20 0.33

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
SCHEMBL28501579 0.82 TDP1 (0.40) GPR84METAP1CYP2A6ALDH1A1HSD17B10
SCHEMBL28182743 0.79 MAPT (0.42) METAP1ALDH1A1HSD17B10ATMMAPT
SCHEMBL13978037 0.78 METAP1 (0.36) GPR84METAP1CYP2A6ALDH1A1HSD17B10
SCHEMBL292913 0.78 METAP1 (0.36) GPR84METAP1CYP2A6ALDH1A1HSD17B10
SCHEMBL13977730 0.78 METAP1 (0.36) GPR84METAP1CYP2A6ALDH1A1HSD17B10
SCHEMBL23421392 0.78 HTR2A (0.40) GPR84METAP1HTR6MEN1MAPT
SCHEMBL28691266 0.75 KMT2A (0.47) METAP1ALDH1A1MEN1KMT2AHPGD
SCHEMBL13376478 0.75 HTR2A (0.47) METAP1HTR6CYP2A6ALDH1A1HSD17B10
SCHEMBL3028098 0.75 METAP1 (0.40) GPR84METAP1HTR6CYP2A6ALDH1A1
SCHEMBL3430076 0.75 METAP1 (0.40) GPR84METAP1HTR6CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11318205-B1 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-05-03 — — US disclosed
US-7491745-B2 Pyrrole-Type compounds, compositions and methods for treating cancer or viral disease GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2009-02-17 — — US disclosed
US-20070037856-A1 e.g. 2-Ethyl-11-((3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-10-azabicyclo[7.2.1]dodeca-9(12),11-diene; anticarcinogenic agent; antiproliferative agent, viricide GEMIN X BIOTECHNOLOGIES INC. (CA) 2007-02-15 — — US disclosed
US-6602879-B2 For inhibiting the replication or infectivity of a virus; therapy GEMIN X BIOTECHNOLOGIES INC. (CA) 2003-08-05 — — US disclosed
US-6407244-B1 ANTIPROLIFERATIVE AGENT GEMIN X BIOTECHNOLOGIES INC. (CA) 2002-06-18 — — US 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 (2 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-20070037856-A1 e.g. 2-Ethyl-11-((3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-10-azabicyclo[7.2.1]dodeca-9(12),11-diene; anticarcinogenic agent; antiproliferative agent, viricide POLI, PCNA, ELL GPR84 4102/4885METAP1 1196/4885HTR6 4763/4885
US-11318205-B1 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 GPR84 1294/4885METAP1 2242/4885HTR6 3032/4885

“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.

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