SCHEMBL721735

SCHEMBL721735

[CH](c1ccncc1)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
LMNA P02545 2/20 0.47
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP19A1 P11511 2/20 0.44
CYP11B2 P19099 2/20 0.44
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP2D6 P10635 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 2/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HBB P68871 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL2311117 0.88 ALDH1A1 (0.54) MAPTJUNNFKB1ALDH1A1CYP19A1
SCHEMBL11055537 0.84 NPC1 (0.48) MAPTALDH1A1CYP19A1CYP11B2NPC1
SCHEMBL3750399 0.84 CYP19A1 (0.48) MAPTLMNACYP19A1CYP11B2NPC1
SCHEMBL138489 0.79 MAPT (0.61) MAPTLMNAJUNNFKB1ALDH1A1
SCHEMBL107198 0.79 MAPT (0.61) MAPTLMNAJUNNFKB1ALDH1A1
SCHEMBL5887491 0.78 MAPT (0.77) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL11090821 0.78 CYP1A2 (0.77) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL9966009 0.76 MAPT (0.65) MAPTLMNAJUNNFKB1ALDH1A1
SCHEMBL31175769 0.76 MAPT (0.58) MAPTLMNAJUNNFKB1ALDH1A1
SCHEMBL135604 0.76 MAPT (0.65) MAPTLMNAJUNNFKB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3933800-A O-SUBSTITUTED OXIMES, MICROBIOCIDES GRUPPO LEPETIT S.P.A. (IT) 1976-01-20 US claimed
EP-2994469-B1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2018-12-19 EP disclosed
US-20180311247-A1 COMBINATION THERAPIES FOR TREATING CANCERS GILEAD SCIENCES, INC. 2018-11-01 US disclosed
US-20180282316-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2018-10-04 US disclosed
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
WO-2018106444-A1 TREATMENT OF BREAST CANCER BY CONCOMITANT ADMINISTRATION OF A BROMODOMAIN INHIBITOR AND A SECOND AGENT GILEAD SCIENCES, INC. (US) 2018-06-14 WO disclosed
WO-2018106433-A1 TREATMENT OF PROSTATE CANCER BY CONCOMITANT ADMINISTRATION OF A BROMODOMAIN INHIBITOR AND A SECOND AGENT GILEAD SCIENCES, INC. (US) 2018-06-14 WO disclosed
US-20180153867-A1 TREATMENT OF PROSTATE CANCER BY CONCOMITANT ADMINISTRATION OF A BROMODOMAIN INHIBITOR AND A SECOND AGENT GILEAD SCIENCES, INC. 2018-06-07 US disclosed
US-20180153868-A1 TREATMENT OF BREAST CANCER BY CONCOMITANT ADMINISTRATION OF A BROMODOMAIN INHIBITOR AND A SECOND AGENT GILEAD SCIENCES, INC. 2018-06-07 US disclosed
US-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. 2018-05-17 US disclosed
US-20120053346-A1 Pyrimidine Carboxamide Derivatives MAEHR HUBERT (US) 2012-03-01 US disclosed
CN-101107000-A 3,6-bicyclolides ENANTA PHARM INC (US) 2008-01-16 CN disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 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-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER BCL2, BAK1, BRD4 MAPT 2995/4885LMNA 2117/4885JUN 255/4885
US-20180282316-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 MAPT 1649/4885LMNA 1185/4885JUN 787/4885
US-20120053346-A1 Pyrimidine Carboxamide Derivatives NOD1, IL1B, IRAK1 MAPT 4026/4885LMNA 3633/4885JUN 564/4885
US-20180153867-A1 TREATMENT OF PROSTATE CANCER BY CONCOMITANT ADMINISTRATION OF A BROMODOMAIN INHIBITOR AND A SECOND AGENT BRDT, BRD4, BRD2 MAPT 2479/4885LMNA 3557/4885JUN 2966/4885
US-20180311247-A1 COMBINATION THERAPIES FOR TREATING CANCERS BRD4, JAK2, JAK1 MAPT 2830/4885LMNA 4226/4885JUN 318/4885
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD3, BRD1 MAPT 1649/4885LMNA 1185/4885JUN 787/4885
US-20180153868-A1 TREATMENT OF BREAST CANCER BY CONCOMITANT ADMINISTRATION OF A BROMODOMAIN INHIBITOR AND A SECOND AGENT BRDT, BRD4, BRD2 MAPT 3600/4885LMNA 4215/4885JUN 1461/4885

“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.