SCHEMBL7035014

SCHEMBL7035014

Nc1ccc2[nH]cnc2c1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.41
CSNK2A2 P19784 1/20 0.41
LMNA P02545 2/20 0.40
PARP1 P09874 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DPP4 P27487 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
PNP P00491 1/20 0.38
PRKCI P41743 1/20 0.37
RAD52 P43351 1/20 0.36
PKM P14618 1/20 0.36
DPP8 Q6V1X1 1/20 0.36

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
SCHEMBL5840003 0.76 CSNK2A1 (0.41) CSNK2A1CSNK2A2LMNAPARP1ALDH1A1
SCHEMBL6581868 0.76 RPS6KA3 (0.44) LMNAPARP1ALDH1A1MAPTKDM4E
SCHEMBL6142572 0.76 MMP12 (0.41) CSNK2A1CSNK2A2LMNAPARP1ALDH1A1
SCHEMBL3611391 0.76 KDM4E (0.44) CSNK2A1LMNAPARP1ALDH1A1MAPT
SCHEMBL19329692 0.76 PARP1 (0.40) LMNAPARP1ALDH1A1MAPTKDM4E
SCHEMBL6976279 0.72 DPP4 (0.46) LMNAPARP1ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL5456659 0.69 PARP1 (0.55) LMNAPARP1ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL13387352 0.69 PARP1 (0.55) LMNAPARP1ALDH1A1MAPTKDM4E
SCHEMBL22182843 0.69 PARP1 (0.38) LMNAPARP1ALDH1A1MAPTKDM4E
SCHEMBL7029398 0.69 DPP4 (0.44) LMNAPARP1ALDH1A1MAPTKDM4E

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-20200207768-A1 Aryl-Phosphorus-Oxygen Compound As EGFR Kinase Inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-07-02 US disclosed
US-20030181730-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-25 US disclosed
US-20030022927-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-30 US disclosed
US-6495583-B1 DRUG FOR TREATING AN ALPHA-2 ADRENERGIC RECEPTOR ASSOCIATED DISORDER, NASAL CONGENSTION AND ALLEVIATING PAIN SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-17 US disclosed
US-6436982-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-20 US disclosed
US-20020072536-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-13 US disclosed
US-6403626-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-11 US disclosed
US-20020065307-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-05-30 US disclosed
US-6316637-B1 SELECTIVE FOR CLONED HUMAN ALPHA 2 RECEPTORS AND ARE USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-11-13 US disclosed
EP-0775134-A4 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 1997-08-13 EP disclosed
EP-0775134-A1 Imidazolin-2-ylaminobenzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-28 EP disclosed
WO-1996004270-A1 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-02-15 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 (5 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-20020065307-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 CSNK2A1 722/4885CSNK2A2 661/4885LMNA 1683/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 CSNK2A1 706/4885CSNK2A2 642/4885LMNA 1681/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 CSNK2A1 705/4885CSNK2A2 654/4885LMNA 1717/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 CSNK2A1 722/4885CSNK2A2 661/4885LMNA 1683/4885
US-20200207768-A1 Aryl-Phosphorus-Oxygen Compound As EGFR Kinase Inhibitor EGFR, ERBB2, ERBB3 CSNK2A1 247/4885CSNK2A2 281/4885LMNA 4868/4885

“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.