SCHEMBL6714980

SCHEMBL6714980

O=C(O)/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HCAR2 Q8TDS4 2/20 0.41
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CYP11B1 P15538 1/20 0.39

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
SCHEMBL6714982 1.00 RAB9A (0.42) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL6926961 0.85 KDM4E (0.43) SMN1; SMN2KDM4EHDAC1HDAC2SIRT2
SCHEMBL6926964 0.85 KDM4E (0.43) SMN1; SMN2KDM4EHDAC1HDAC2SIRT2
SCHEMBL7789115 0.83 SIRT2 (0.42) NPC1HDAC1HDAC2CYP11B1CYP11B2
SCHEMBL7789120 0.83 SIRT2 (0.42) NPC1HDAC1HDAC2CYP11B1CYP11B2
SCHEMBL28361973 0.82 NPC1 (0.51) RAB9ANPC1SIRT2CA1CA2
SCHEMBL312750 0.81 CYP11B1 (0.43) RAB9ASMN1; SMN2LMNACYP11B1CYP11B2
SCHEMBL7684568 0.80 CYP11B1 (0.40) RAB9ASMN1; SMN2LMNACYP11B1CYP11B2
SCHEMBL7684566 0.80 CYP11B1 (0.40) RAB9ASMN1; SMN2LMNACYP11B1CYP11B2
SCHEMBL7082566 0.80 CYP1B1 (0.53) SMN1; SMN2KDM4ELMNAHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
US-11530298-B2 Poly(phosphoesters) for delivery of nucleic acids TRANSLATE BIO, INC. (US) 2022-12-20 US disclosed
US-11530298-B2 Poly(phosphoesters) for delivery of nucleic acids TRANSLATE BIO, INC. (US) 2022-12-20 US disclosed
EP-4047039-A1 POLY(PHOSPHOESTERS) FOR DELIVERY OF NUCLEIC ACIDS Translate Bio, Inc. (US) 2022-08-24 EP disclosed
EP-3601259-B1 ISOQUINOLINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2022-02-23 EP disclosed
EP-3638716-B1 POLY(PHOSPHOESTERS) FOR DELIVERY OF NUCLEIC ACIDS TRANSLATE BIO INC (US) 2022-01-05 EP disclosed
EP-3638716-B1 POLY(PHOSPHOESTERS) FOR DELIVERY OF NUCLEIC ACIDS TRANSLATE BIO INC (US) 2022-01-05 EP disclosed
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2021-06-03 US disclosed
US-20200277446-A1 POLY(PHOSPHOESTERS) FOR DELIVERY OF NUCLEIC ACIDS TRANSLATE BIO, INC. 2020-09-03 US disclosed
US-20200277446-A1 POLY(PHOSPHOESTERS) FOR DELIVERY OF NUCLEIC ACIDS TRANSLATE BIO, INC. 2020-09-03 US disclosed
EP-3601259-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 US disclosed
WO-2018183964-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 WO disclosed
US-20040092524-A1 Novel aminophenyl piperazine or aminophenyl piperidine derivatives inhibiting prenyl transferase proteins and method for preparing same PIERRE FABRE MEDICAMENT (FR) 2004-05-13 US disclosed
US-20010047100-A1 Chiral imidazoyl intermediates for the synthesis of 2-(4-imidazoyl)-cyclopropyl derivatives KJAERSGAARD HANS JOERGEN (DK) 2001-11-29 US disclosed
WO-2001081317-A1 CHIRAL IMIDAZOYL INTERMEDIATES FOR THE SYNTHESIS OF 2-(4-IMIDAZOYL)-CYCLOPROPYL DERIVATIVES GLIATECH, INC. (US) 2001-11-01 WO disclosed
US-4948796-A TREATING CEREBO-VASCULARE DISEASES TOYAMA CHEMICAL CO., LTD. (JP) 1990-08-14 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 (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-20200277446-A1 POLY(PHOSPHOESTERS) FOR DELIVERY OF NUCLEIC ACIDS POLR2E, POLR2H, POLR1A RAB9A 1700/4885NPC1 534/4885SMN1; SMN2 47/4885
US-20040092524-A1 Novel aminophenyl piperazine or aminophenyl piperidine derivatives inhibiting prenyl transferase proteins and method for preparing same CBR3, CBR1, HCCS RAB9A 345/4885NPC1 104/4885SMN1; SMN2 4744/4885
US-11530298-B2 Poly(phosphoesters) for delivery of nucleic acids POLR2E, POLR2H, POLR1A RAB9A 1700/4885NPC1 534/4885SMN1; SMN2 47/4885
US-20180282282-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HPGDS, IP6K1 RAB9A 2701/4885NPC1 931/4885SMN1; SMN2 3749/4885
US-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 RAB9A 2736/4885NPC1 1022/4885SMN1; SMN2 3545/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 RAB9A 2736/4885NPC1 1022/4885SMN1; SMN2 3545/4885
US-20010047100-A1 Chiral imidazoyl intermediates for the synthesis of 2-(4-imidazoyl)-cyclopropyl derivatives HRH4, HRH2, HRH1 RAB9A 2082/4885NPC1 3934/4885SMN1; SMN2 4662/4885

“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.