SCHEMBL5024043

SCHEMBL5024043

CCc1cccc(-c2ccnn2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.49
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NOTUM Q6P988 1/20 0.43
IDO1 P14902 1/20 0.43
CTSA P10619 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL112291 0.85 CTSV (0.46) CTSVCTSLCTSBCTSSCYP1A2
SCHEMBL5018745 0.83 CTSS (0.52) CTSVCTSLCTSBCTSSCYP1A2
SCHEMBL8807528 0.80 CTSV (0.50) CTSVCTSLCTSBCTSSCTSA
SCHEMBL15824766 0.80 CTSV (0.53) CTSVCTSLCTSBCTSSCTSA
SCHEMBL15824999 0.78 CTSV (0.46) CTSVCTSLCTSBCTSSCYP1A2
SCHEMBL15881161 0.78 ROCK2 (0.52) CTSVCTSLCTSBCTSSCTSA
SCHEMBL13035808 0.77 NT5E (0.50) NISCHCYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL2658997 0.76 CTSA (0.44) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL20817541 0.76 NT5E (0.63) CYP3A4CYP2C9CTSAALDH1A1PIK3CD
SCHEMBL28718890 0.76 PIK3CD (0.43) CTSVCTSLCTSBCTSSCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 US disclosed
US-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2019-03-21 US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-9675614-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-06-13 US disclosed
US-20170027935-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-02-02 US disclosed
EP-3070081-A1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION Gilead Sciences, Inc. (US) 2016-09-21 EP disclosed
EP-2788336-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2016-03-02 EP disclosed
US-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2015-12-03 US disclosed
US-8940726-B2 PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2015-01-27 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 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 (6 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-20150344433-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 NISCH 4676/4885CTSV 4858/4885CTSL 4699/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 NISCH 1241/4885CTSV 1597/4885CTSL 1724/4885
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 NISCH 4386/4885CTSV 4874/4885CTSL 4785/4885
US-20190083482-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 NISCH 4768/4885CTSV 4849/4885CTSL 4650/4885
US-20170027935-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 NISCH 4768/4885CTSV 4849/4885CTSL 4650/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 NISCH 4386/4885CTSV 4874/4885CTSL 4785/4885

“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.