SCHEMBL43208

SCHEMBL43208

COc1ccccc1C[NH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.61
MAPT P10636 2/20 0.59
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
TAAR1 Q96RJ0 1/20 0.57
CHRM2 P08172 7/20 0.55
CHRM1 P11229 5/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA4 P22748 1/20 0.55
CA14 Q9ULX7 1/20 0.55
KCNH2 Q12809 1/20 0.53
CHRM4 P08173 4/20 0.52
CHRM5 P08912 4/20 0.52
CHRM3 P20309 4/20 0.52
MEN1 O00255 1/20 0.52
BCHE P06276 1/20 0.52

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
SCHEMBL1806246 0.82 TAAR1 (0.64) IDO1MAPTALDH1A1GAATAAR1
Hydrochloric Acid SCHEMBL1014030 0.81 IDO1 (0.61) IDO1MAPTALDH1A1GAATAAR1
SCHEMBL400747 0.80 IDO1 (0.50) IDO1ALDH1A1GAACA1CA2
SCHEMBL28858018 0.80 TAAR1 (0.75) IDO1MAPTALDH1A1GAATAAR1
SCHEMBL3296809 0.80 IDO1 (0.61) IDO1MAPTALDH1A1GAATAAR1
Hydrochloric Acid SCHEMBL2493335 0.79 IDO1 (0.59) IDO1MAPTALDH1A1GAATAAR1
Hydrochloric Acid SCHEMBL27527127 0.79 TAAR1 (0.67) IDO1MAPTALDH1A1GAATAAR1
SCHEMBL7831223 0.79 IDO1 (0.55) IDO1MAPTALDH1A1GAATAAR1
Hydrochloric Acid SCHEMBL27842350 0.79 IDO1 (0.59) IDO1MAPTALDH1A1GAATAAR1
Hydrochloric Acid SCHEMBL9272901 0.79 TAAR1 (0.67) IDO1MAPTALDH1A1GAATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457363-B Potato trisaccharide oleanolic acid saponin derivative and preparation method and application thereof 华南农业大学 2021-12-24 CN claimed
CN-113444113-A Artemisinin-base split compound or pharmaceutically acceptable salt thereof, pharmaceutical preparation and application 贵州大学 2021-09-28 CN claimed
CN-112457363-A Potato trisaccharide oleanolic acid saponin derivative and preparation method and application thereof 华南农业大学 2021-03-09 CN claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-3294741-B1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISO PROPYLPYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2019-05-01 EP claimed
US-9957273-B2 5-substituted 7- [4-(2-pyridyl)phenylmethylamino] -3-isopropylpyrazolo4,3-D]pyrimidine derivatives, use thereof as medicaments, and pharmaceutical compositions USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2018-05-01 US claimed
EP-3294741-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS Ustav Experimentalni Botaniky Av CR, V.V.I. (CZ) 2018-03-21 EP claimed
US-20180072736-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2018-03-15 US claimed
EP-3002287-B1 Thiochromeno[2,3-c]quinolin-12-one derivatives and their use as topoisomerase inhibitors NAT DEFENSE MEDICAL CENTER (TW) 2018-01-31 EP claimed
WO-2016180380-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2016-11-17 WO claimed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO claimed
EP-0635508-B1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS ASAHI CHEMICAL IND (JP) 1999-10-06 EP claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
US-5621103-A 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-04-15 US claimed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO claimed
EP-0635508-A1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-25 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20180072736-A1 5-SUBSTITUTED 7-[4-(2-PYRIDYL)PHENYLMETHYLAMINO]-3-ISOPROPYLPYRAZOLO4,3-D]PYRIMIDINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS CDK5, CDK2, CDK4 IDO1 2990/4885MAPT 2860/4885ALDH1A1 3276/4885

“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.