SCHEMBL21709866

SCHEMBL21709866

Cc1ccnc(C(C)(C)C)c1N

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.56
NOS3 P29474 5/20 0.56
LMNA P02545 1/20 0.38
LIMK1 P53667 1/20 0.38
POLB P06746 2/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
NOS1 P29475 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CD44 P16070 1/20 0.33
NUDT1 P36639 2/20 0.32
MAPT P10636 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL28571320 0.83 NOS2 (0.52) NOS2NOS3LMNALIMK1POLB
SCHEMBL21603386 0.83 NOS2 (0.52) NOS2NOS3LMNALIMK1POLB
SCHEMBL28562569 0.83 NOS2 (0.52) NOS2NOS3LMNALIMK1POLB
SCHEMBL10204659 0.77 NOS2 (0.48) NOS2NOS3LMNACCR1CCR5
SCHEMBL22096897 0.77 NOS3 (0.34) NOS2NOS3NOS1MEN1KMT2A
SCHEMBL993753 0.76 CCR1 (0.38) NOS2NOS3CCR1CCR5CCR8
SCHEMBL21719115 0.74 HPGD (0.41) NOS2NOS3CCR1CCR5CCR8
SCHEMBL11955166 0.74 CCR1 (0.37) NOS2NOS3CCR1CCR5CCR8
SCHEMBL22096913 0.74 GABRA1 (0.42) NOS2NOS3LMNALIMK1POLB
SCHEMBL21718934 0.74 CCR1 (0.37) NOS2NOS3CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889561-B2 Process of making somatostatin modulators Crinetics Pharmaceuticals, Inc. (US) 2021-01-12 US disclosed
US-10875839-B2 Somatostatin modulators and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-12-29 US disclosed
US-20200190053-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-06-18 US disclosed
US-20200048219-A1 PROCESS OF MAKING SOMATOSTATIN MODULATORS Crinetics Pharmaceuticals, Inc. 2020-02-13 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-20200190053-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 NOS2 1227/4885NOS3 887/4885LMNA 3475/4885
US-20200048219-A1 PROCESS OF MAKING SOMATOSTATIN MODULATORS SSTR5, SSTR4, SSTR2 NOS2 852/4885NOS3 649/4885LMNA 2799/4885
US-10875839-B2 Somatostatin modulators and uses thereof SSTR5, SSTR2, SSTR4 NOS2 1227/4885NOS3 887/4885LMNA 3475/4885
US-10889561-B2 Process of making somatostatin modulators SSTR5, SSTR4, SSTR2 NOS2 852/4885NOS3 649/4885LMNA 2799/4885

“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.