SCHEMBL455691

SCHEMBL455691

Cc1cc(Br)ccc1C(=O)NC1CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
HTT P42858 1/20 0.49
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2635945 0.90 SMN1; SMN2 (0.49) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL31495198 0.89 KMT2A (0.52) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL16236229 0.87 RAB9A (0.53) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL178430 0.83 TAS1R3 (0.66) RAB9ANPC1KMT2ACYP1A2CYP2C19
SCHEMBL15341542 0.82 NPC1 (0.54) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL1518477 0.82 KMT2A (0.57) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL6121489 0.82 HSD17B10 (0.64) KMT2AMEN1POLB
SCHEMBL4516890 0.81 HPGD (0.68) RAB9ANPC1KMT2AMEN1TAS1R3
SCHEMBL20627701 0.81 POLB (0.41) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL3233932 0.81 NPC1 (0.53) RAB9ANPC1CYP1A2CYP2C19TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287077-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2024-08-29 US disclosed
CN-111377925-B Purine derivatives, preparation method thereof and application thereof in medicines 四川科伦博泰生物医药股份有限公司 2024-03-12 CN disclosed
US-20220204511-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2022-06-30 US disclosed
US-20220204511-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2022-06-30 US disclosed
US-20210009595-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2021-01-14 US disclosed
US-20210009595-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2021-01-14 US disclosed
CN-111377925-A Purine derivative, preparation method and medical application thereof 四川科伦博泰生物医药股份有限公司 2020-07-07 CN disclosed
EP-2948439-B1 PYRAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-06-03 EP disclosed
US-10570143-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2020-02-25 US disclosed
US-10570143-B2 Pyrazolopyrimidine compounds UNIVERSITY HEALTH NETWORK (CA) 2020-02-25 US disclosed
US-6380256-B1 FOR THERAPY OF DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2002-04-30 US disclosed
US-6369261-B1 CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS ALLERGAN SALES, INC. 2002-04-09 US disclosed
US-6369225-B1 ENZYME INHIBITORS ALLERGAN SALES, INC. 2002-04-09 US disclosed
WO-2002026727-A2 METHODS OF PROVIDING AND USING COMPOUNDS (RETINOIDS) HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-04-04 WO disclosed
US-6359135-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2002-03-19 US disclosed
WO-2002018361-A2 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-03-07 WO disclosed
US-6313107-B1 ADMINISTERING TO MAMMAL TO TREAT DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2001-11-06 US disclosed
US-6303785-B1 SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES ALLERGAN SALES, INC. 2001-10-16 US disclosed
US-6291677-B1 FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES AND KERATINIZATION AND HYPERPROLIFERATIVE DISORDERS OF SKIN ALLERGAN SALES, INC. 2001-09-18 US disclosed
US-6252090-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2001-06-26 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 (4 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-20220204511-A1 PYRAZOLOPYRIMIDINE COMPOUNDS DPYD, CYP3A5, CYP3A7 RAB9A 1782/4885NPC1 856/4885KMT2A 2243/4885
US-20240287077-A1 PYRAZOLOPYRIMIDINE COMPOUNDS DPYD, CYP3A5, CYP3A7 RAB9A 1782/4885NPC1 856/4885KMT2A 2243/4885
US-10570143-B2 Pyrazolopyrimidine compounds CYP3A5, CYP3A7, DPYD RAB9A 1263/4885NPC1 487/4885KMT2A 2905/4885
US-20210009595-A1 PYRAZOLOPYRIMIDINE COMPOUNDS DPYD, CYP3A5, CYP3A7 RAB9A 1915/4885NPC1 705/4885KMT2A 2836/4885

“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.